#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f7n n ASP 3 N 0.00 3.98 0.00 0.00 2.03 -1.26 -4.88 116.55 116.42 3f7n n ASP 3 Ca 0.00 0.95 0.10 0.00 0.52 0.00 0.00 54.79 56.36 3f7n n ASP 3 Cb 0.00 -1.51 0.44 0.00 -0.72 0.00 0.00 41.12 39.34 3f7n n ASP 3 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3f7n n LYS 4 N 6.54 0.07 -0.04 -0.67 4.76 -1.26 -1.02 118.16 126.54 3f7n n LYS 4 Ca 0.20 0.14 0.12 0.00 -2.87 0.00 0.00 58.31 55.90 3f7n n LYS 4 Cb 0.37 -1.50 0.42 0.00 -1.84 0.00 0.00 35.03 32.49 3f7n n LYS 4 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3f7n n GLU 5 N -1.45 1.78 -1.62 1.97 -0.58 -1.26 -4.22 120.64 115.25 3f7n n GLU 5 Ca 0.06 -1.15 -0.52 0.00 -0.42 0.00 0.00 57.16 55.13 3f7n n GLU 5 Cb 0.21 -1.45 -0.06 0.00 -0.57 0.00 0.00 31.44 29.58 3f7n n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3f7n n LEU 6 N 0.38 1.99 -4.61 -4.62 7.94 -0.19 -4.84 117.00 113.04 3f7n n LEU 6 Ca 0.18 1.10 -0.40 0.00 -1.11 0.00 0.00 56.01 55.78 3f7n n LEU 6 Cb 0.37 -1.22 -0.07 0.00 0.53 0.00 0.00 43.42 43.03 3f7n n LEU 6 CO 0.15 -0.83 0.27 -0.75 -1.11 0.00 0.00 177.39 175.12 3f7n s LYS 7 N 1.10 4.02 -0.06 1.96 2.20 -1.26 -4.51 119.74 123.19 3f7n s LYS 7 Ca 0.86 0.30 -0.07 0.00 -0.36 0.00 0.00 55.97 56.70 3f7n s LYS 7 Cb -0.93 -3.67 -0.04 0.00 -1.51 0.00 0.00 37.83 31.67 3f7n s LYS 7 CO 0.49 -0.40 0.21 -0.06 -0.36 0.00 0.00 175.35 175.22 3f7n s PHE 8 N 2.37 3.60 -0.18 4.03 0.40 -0.28 -0.42 117.98 127.50 3f7n s PHE 8 Ca 0.22 0.57 -0.02 0.00 -0.60 0.00 0.00 56.93 57.10 3f7n s PHE 8 Cb -0.16 -1.98 -0.01 0.00 0.51 0.00 0.00 43.02 41.39 3f7n s PHE 8 CO 0.10 0.68 -0.09 -1.17 0.70 0.00 0.00 175.22 175.44 3f7n s LEU 9 N -1.35 2.78 -0.26 -0.37 2.96 -0.00 -1.18 118.68 121.25 3f7n s LEU 9 Ca 0.21 -0.37 -0.05 0.00 -0.22 0.00 0.00 54.13 53.69 3f7n s LEU 9 Cb -0.13 -1.67 0.00 0.00 0.50 0.00 0.00 46.19 44.90 3f7n s LEU 9 CO 0.10 0.06 0.02 -0.69 -1.32 0.00 0.00 176.35 174.53 3f7n s VAL 10 N 0.96 3.63 -0.17 1.68 1.01 0.09 -1.12 120.40 126.48 3f7n s VAL 10 Ca -0.01 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.33 3f7n s VAL 10 Cb -0.15 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.46 3f7n s VAL 10 CO -0.00 0.22 -0.19 -0.69 0.00 0.00 0.00 175.10 174.43 3f7n s VAL 11 N 1.47 1.96 -0.14 2.92 1.01 0.36 -0.88 120.40 127.12 3f7n s VAL 11 Ca 0.03 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 3f7n s VAL 11 Cb -0.16 -1.77 0.11 0.00 0.00 0.00 0.00 36.38 34.55 3f7n s VAL 11 CO -0.00 0.53 0.89 -0.62 0.00 0.00 0.00 175.10 175.89 3f7n s ASP 12 N 1.22 -0.48 0.00 3.32 -1.08 -0.92 -0.78 116.67 117.95 3f7n s ASP 12 Ca 0.02 0.58 0.29 0.00 -0.52 0.00 0.00 52.55 52.92 3f7n s ASP 12 Cb -0.13 0.46 1.36 0.00 -1.46 0.00 0.00 42.92 43.15 3f7n s ASP 12 CO -0.10 -0.41 1.96 -0.90 0.52 0.00 0.00 175.17 176.23 3f7n n ASP 13 N 0.96 0.17 -4.37 -0.34 5.75 -1.22 -4.26 116.55 113.24 3f7n n ASP 13 Ca -0.13 -0.23 -0.36 0.00 -0.01 0.00 0.00 54.79 54.06 3f7n n ASP 13 Cb 0.57 -0.21 -0.13 0.00 -1.03 0.00 0.00 41.12 40.32 3f7n n ASP 13 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3f7n s GLU 14 N -2.59 3.48 0.47 0.11 2.02 -1.26 -4.99 118.70 115.94 3f7n s GLU 14 Ca 0.27 -0.58 0.15 0.00 0.02 0.00 0.00 54.97 54.83 3f7n s GLU 14 Cb 0.20 -3.16 1.13 0.00 0.10 0.00 0.00 34.13 32.40 3f7n s GLU 14 CO 0.48 -0.21 2.06 0.66 0.02 0.00 0.00 175.26 178.27 3f7n h SER 15 N 8.17 0.21 -0.55 -0.19 4.64 -2.00 -1.97 113.55 121.86 3f7n h SER 15 Ca -0.40 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3f7n h SER 15 Cb 1.16 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.18 3f7n h SER 15 CO 0.59 0.14 0.37 0.74 -0.87 0.00 0.00 176.83 177.80 3f7n h THR 16 N 0.24 1.14 -0.51 2.95 2.02 -1.98 -0.71 112.91 116.06 3f7n h THR 16 Ca 0.14 -0.27 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 3f7n h THR 16 Cb 0.28 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 3f7n h THR 16 CO -0.03 0.14 0.09 0.24 0.37 0.00 0.00 175.52 176.34 3f7n h MET 17 N 0.75 0.83 -0.84 6.66 2.86 -1.78 -1.34 114.93 122.07 3f7n h MET 17 Ca 0.20 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3f7n h MET 17 Cb -0.08 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.44 3f7n h MET 17 CO -0.04 0.82 0.45 0.00 1.06 0.00 0.00 176.91 179.19 3f7n h ARG 18 N 0.71 1.18 -0.61 1.72 3.08 -1.20 -2.24 114.38 117.02 3f7n h ARG 18 Ca 0.16 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 3f7n h ARG 18 Cb 0.38 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 3f7n h ARG 18 CO 0.01 0.87 0.17 -0.09 -1.07 0.00 0.00 179.97 179.87 3f7n h ARG 19 N 1.18 0.96 -0.02 0.04 2.43 -0.85 -0.02 114.38 118.10 3f7n h ARG 19 Ca 0.29 -0.22 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3f7n h ARG 19 Cb 0.05 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 3f7n h ARG 19 CO -0.05 0.86 -0.16 0.82 -1.51 0.00 0.00 179.97 179.94 3f7n h ILE 20 N 0.88 0.61 -0.25 1.20 2.04 -1.01 -0.94 117.51 120.03 3f7n h ILE 20 Ca 0.19 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.02 3f7n h ILE 20 Cb 0.32 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3f7n h ILE 20 CO -0.00 0.00 0.01 0.58 0.00 0.00 0.00 178.15 178.74 3f7n h VAL 21 N -0.25 1.25 -0.50 1.67 2.07 -1.25 -0.34 116.25 118.90 3f7n h VAL 21 Ca 0.06 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 66.75 3f7n h VAL 21 Cb 0.33 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3f7n h VAL 21 CO -0.17 0.28 0.25 -0.09 0.02 0.00 0.00 177.57 177.86 3f7n h ARG 22 N 0.22 0.48 -0.60 1.57 2.43 -0.97 -0.44 114.38 117.07 3f7n h ARG 22 Ca 0.07 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 3f7n h ARG 22 Cb 0.39 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 3f7n h ARG 22 CO 0.01 0.32 0.02 -0.91 -1.51 0.00 0.00 179.97 177.90 3f7n h ASN 23 N 0.49 1.01 -0.53 -3.80 4.21 -0.96 -1.12 115.58 114.87 3f7n h ASN 23 Ca 0.22 -0.27 0.00 0.00 1.21 0.00 0.00 56.30 57.46 3f7n h ASN 23 Cb 0.13 -0.27 -0.03 0.00 -1.12 0.00 0.00 38.32 37.03 3f7n h ASN 23 CO -0.15 1.04 0.35 -0.07 -1.29 0.00 0.00 177.43 177.31 3f7n h LEU 24 N 0.95 0.61 -0.69 1.61 3.38 -0.78 -1.60 115.31 118.80 3f7n h LEU 24 Ca 0.18 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.14 3f7n h LEU 24 Cb 0.52 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3f7n h LEU 24 CO 0.03 0.45 0.44 -0.07 0.09 0.00 0.00 178.44 179.38 3f7n h LEU 25 N 0.72 0.75 -0.41 1.67 3.38 -0.82 -2.08 115.31 118.52 3f7n h LEU 25 Ca 0.19 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.20 3f7n h LEU 25 Cb -0.08 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 3f7n h LEU 25 CO -0.04 0.53 0.15 0.50 0.09 0.00 0.00 178.44 179.67 3f7n h LYS 26 N 0.89 0.31 -0.56 1.13 3.64 -0.83 0.17 116.57 121.32 3f7n h LYS 26 Ca 0.26 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 3f7n h LYS 26 Cb -0.04 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 3f7n h LYS 26 CO -0.08 0.21 0.37 1.49 -2.27 0.00 0.00 179.45 179.17 3f7n h GLU 27 N 0.32 0.70 0.00 1.90 4.57 -0.85 -0.79 114.58 120.43 3f7n h GLU 27 Ca 0.19 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3f7n h GLU 27 Cb 0.16 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3f7n h GLU 27 CO -0.19 0.46 0.00 1.28 -1.18 0.00 0.00 179.01 179.39 3f7n n LEU 28 N -4.46 0.00 0.00 1.64 4.77 -0.52 -4.88 117.00 113.56 3f7n n LEU 28 Ca 0.06 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 3f7n n LEU 28 Cb 0.07 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3f7n n LEU 28 CO 0.35 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3f7n n GLY 29 N 1.19 0.93 3.40 -0.72 0.00 -0.30 -5.08 105.19 104.62 3f7n n GLY 29 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3f7n n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f7n s PHE 30 N -2.00 3.24 -0.77 1.61 0.08 0.47 -4.81 117.98 115.80 3f7n s PHE 30 Ca 0.00 -0.86 0.12 0.00 0.12 0.00 0.00 56.93 56.31 3f7n s PHE 30 Cb 0.00 -2.46 -0.08 0.00 -0.57 0.00 0.00 43.02 39.91 3f7n s PHE 30 CO 0.00 -0.62 0.58 0.09 -0.10 0.00 0.00 175.22 175.17 3f7n n ASN 31 N 5.02 0.85 -4.48 1.36 3.02 -1.26 -3.07 115.26 116.71 3f7n n ASN 31 Ca -0.12 -0.93 -0.44 0.00 -0.03 0.00 0.00 54.58 53.07 3f7n n ASN 31 Cb 0.46 0.81 -0.01 0.00 -0.61 0.00 0.00 39.78 40.43 3f7n n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3f7n s ASN 32 N -1.91 6.89 -0.03 6.41 2.47 -1.26 -4.93 114.94 122.57 3f7n s ASN 32 Ca 0.07 -2.58 0.00 0.00 0.42 0.00 0.00 52.86 50.77 3f7n s ASN 32 Cb 0.09 -2.43 0.03 0.00 -1.45 0.00 0.00 41.25 37.49 3f7n s ASN 32 CO 0.42 -0.92 -0.00 -0.69 -3.72 0.00 0.00 177.10 172.18 3f7n s VAL 33 N 2.36 0.20 0.23 -5.21 1.01 -1.26 -1.13 120.40 116.61 3f7n s VAL 33 Ca 0.41 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.54 3f7n s VAL 33 Cb -0.02 -0.30 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 3f7n s VAL 33 CO -0.02 0.15 -0.11 -1.61 0.00 0.00 0.00 175.10 173.51 3f7n s GLU 34 N 1.06 1.41 0.15 2.72 0.41 -0.33 -4.98 118.70 119.15 3f7n s GLU 34 Ca -0.09 -1.66 0.10 0.00 -0.41 0.00 0.00 54.97 52.91 3f7n s GLU 34 Cb -0.14 -1.12 -0.04 0.00 -1.78 0.00 0.00 34.13 31.05 3f7n s GLU 34 CO -0.02 0.12 -0.22 -1.21 -0.49 0.00 0.00 175.26 173.45 3f7n s GLU 35 N -3.68 1.61 0.01 1.61 2.02 -1.26 -0.73 118.70 118.29 3f7n s GLU 35 Ca 0.25 -1.36 -0.01 0.00 0.02 0.00 0.00 54.97 53.88 3f7n s GLU 35 Cb 0.01 -1.97 -0.01 0.00 0.10 0.00 0.00 34.13 32.26 3f7n s GLU 35 CO 0.09 0.44 -0.01 0.00 0.02 0.00 0.00 175.26 175.80 3f7n s ALA 36 N -1.36 0.05 -0.70 5.21 0.00 -0.05 -4.87 121.76 120.03 3f7n s ALA 36 Ca 0.18 -0.45 0.22 0.00 0.00 0.00 0.00 51.96 51.92 3f7n s ALA 36 Cb -0.09 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 3f7n s ALA 36 CO 0.09 -0.14 0.97 -0.85 0.00 0.00 0.00 175.76 175.83 3f7n n GLU 37 N 1.79 0.21 -3.86 0.00 0.28 -1.26 -2.16 120.64 115.66 3f7n n GLU 37 Ca -0.22 -0.02 -0.06 0.00 -0.16 0.00 0.00 57.16 56.70 3f7n n GLU 37 Cb 0.56 -1.55 0.02 0.00 1.43 0.00 0.00 31.44 31.90 3f7n n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 3f7n s ASP 38 N -3.62 0.02 0.32 -1.84 1.47 -1.26 -3.44 116.67 108.31 3f7n s ASP 38 Ca 0.04 -0.90 0.08 0.00 1.18 0.00 0.00 52.55 52.96 3f7n s ASP 38 Cb 0.15 0.65 0.53 0.00 -0.34 0.00 0.00 42.92 43.92 3f7n s ASP 38 CO 0.82 -1.30 1.74 1.23 0.68 0.00 0.00 175.17 178.34 3f7n h GLY 39 N 2.00 0.18 0.61 2.12 0.00 -1.38 -0.24 103.07 106.35 3f7n h GLY 39 Ca -0.30 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 3f7n h GLY 39 CO 0.39 0.15 -0.01 -2.08 0.00 0.00 0.00 176.54 174.99 3f7n h VAL 40 N 0.14 1.32 -0.59 4.60 2.07 -1.87 -0.50 116.25 121.43 3f7n h VAL 40 Ca 0.01 -0.97 0.10 0.00 0.82 0.00 0.00 66.70 66.67 3f7n h VAL 40 Cb 0.76 1.95 -0.08 0.00 -1.52 0.00 0.00 31.29 32.41 3f7n h VAL 40 CO 0.06 0.25 0.14 -0.78 0.02 0.00 0.00 177.57 177.26 3f7n h ASP 41 N -0.37 0.04 -0.00 0.57 3.58 -1.93 -1.63 116.42 116.68 3f7n h ASP 41 Ca 0.00 0.10 0.02 0.00 0.42 0.00 0.00 57.03 57.58 3f7n h ASP 41 Cb 0.42 0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.57 3f7n h ASP 41 CO 0.00 0.03 -0.13 0.00 -2.88 0.00 0.00 179.24 176.27 3f7n h ALA 42 N 1.45 -0.14 -0.83 -0.78 0.00 -0.88 -1.96 119.26 116.12 3f7n h ALA 42 Ca 0.30 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.26 3f7n h ALA 42 Cb 0.43 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 3f7n h ALA 42 CO -0.37 -0.62 0.54 -0.07 0.00 0.00 0.00 179.25 178.73 3f7n h LEU 43 N -0.21 0.86 -0.46 0.00 3.38 -0.62 0.81 115.31 119.07 3f7n h LEU 43 Ca 0.05 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3f7n h LEU 43 Cb 0.27 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3f7n h LEU 43 CO -0.13 0.58 0.29 0.78 0.09 0.00 0.00 178.44 180.05 3f7n h ASN 44 N 1.00 0.47 -0.39 -0.43 -0.26 -0.95 0.96 115.58 115.98 3f7n h ASN 44 Ca 0.34 -0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 56.02 3f7n h ASN 44 Cb 0.08 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.22 3f7n h ASN 44 CO -0.11 0.34 0.05 0.11 -1.06 0.00 0.00 177.43 176.76 3f7n h LYS 45 N 0.58 0.66 -0.76 0.81 1.57 -0.72 -2.57 116.57 116.14 3f7n h LYS 45 Ca 0.18 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3f7n h LYS 45 Cb -0.02 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 3f7n h LYS 45 CO -0.07 0.72 0.49 -0.07 -0.57 0.00 0.00 179.45 179.96 3f7n h LEU 46 N 0.50 0.83 -1.93 2.94 3.38 -0.51 -1.32 115.31 119.20 3f7n h LEU 46 Ca 0.12 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3f7n h LEU 46 Cb 0.39 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3f7n h LEU 46 CO 0.01 0.58 -0.01 -0.61 0.09 0.00 0.00 178.44 178.50 3f7n h GLN 47 N 0.98 0.03 0.00 1.13 -0.00 -0.74 -1.32 115.11 115.19 3f7n h GLN 47 Ca 0.29 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.91 3f7n h GLN 47 Cb -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.43 3f7n h GLN 47 CO -0.09 0.04 -0.15 0.00 0.00 0.00 0.00 178.83 178.63 3f7n h ALA 48 N 1.96 1.33 0.00 3.38 0.00 -0.81 -3.48 119.26 121.63 3f7n h ALA 48 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3f7n h ALA 48 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3f7n h ALA 48 CO 0.00 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.86 3f7n n GLY 49 N -0.66 2.22 0.69 0.00 0.00 -0.50 -5.04 105.19 101.90 3f7n n GLY 49 Ca -0.02 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.07 3f7n n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f7n n GLY 50 N 1.52 2.03 3.77 -0.02 0.00 -1.26 -4.95 105.19 106.28 3f7n n GLY 50 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3f7n n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f7n s TYR 51 N -2.41 3.31 0.00 1.61 2.02 -1.26 -4.57 117.35 116.05 3f7n s TYR 51 Ca 0.00 1.63 0.00 0.00 -0.37 0.00 0.00 57.07 58.33 3f7n s TYR 51 Cb 0.00 -3.30 0.00 0.00 -0.40 0.00 0.00 41.96 38.26 3f7n s TYR 51 CO 0.00 -0.88 0.30 0.41 -1.57 0.00 0.00 175.55 173.82 3f7n n GLY 52 N 0.78 -0.51 3.63 0.71 0.00 0.44 -4.95 105.19 105.30 3f7n n GLY 52 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 3f7n n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3f7n s PHE 53 N -0.26 -0.77 -0.08 1.61 2.19 -0.99 -4.33 117.98 115.35 3f7n s PHE 53 Ca 0.00 1.77 0.04 0.00 0.33 0.00 0.00 56.93 59.07 3f7n s PHE 53 Cb 0.00 0.36 -0.00 0.00 -1.31 0.00 0.00 43.02 42.07 3f7n s PHE 53 CO 0.00 -0.37 -0.22 0.08 1.83 0.00 0.00 175.22 176.54 3f7n s VAL 54 N 0.63 1.89 -0.16 3.12 1.01 0.19 -0.82 120.40 126.26 3f7n s VAL 54 Ca -0.02 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 3f7n s VAL 54 Cb -0.05 -1.64 -0.00 0.00 0.00 0.00 0.00 36.38 34.69 3f7n s VAL 54 CO -0.05 0.52 -0.13 -0.63 0.00 0.00 0.00 175.10 174.82 3f7n s ILE 55 N 0.28 2.86 -0.01 2.22 1.01 -0.27 -0.38 121.20 126.91 3f7n s ILE 55 Ca -0.15 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 59.81 3f7n s ILE 55 Cb -0.17 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.08 3f7n s ILE 55 CO 0.07 0.50 -0.01 -0.55 0.00 0.00 0.00 174.94 174.95 3f7n s SER 56 N 0.87 0.25 0.95 3.58 0.15 -0.09 -0.48 113.70 118.92 3f7n s SER 56 Ca -0.04 -0.03 -0.12 0.00 0.70 0.00 0.00 55.95 56.46 3f7n s SER 56 Cb -0.15 -0.05 0.16 0.00 -1.71 0.00 0.00 66.02 64.26 3f7n s SER 56 CO -0.00 0.00 1.09 -0.62 1.20 0.00 0.00 173.24 174.91 3f7n s ASP 57 N 0.15 3.04 -0.05 5.45 2.15 0.03 -0.54 116.67 126.90 3f7n s ASP 57 Ca -0.01 1.41 -0.04 0.00 0.43 0.00 0.00 52.55 54.33 3f7n s ASP 57 Cb -0.03 -2.08 -0.01 0.00 -0.30 0.00 0.00 42.92 40.49 3f7n s ASP 57 CO -0.00 -2.90 -0.09 1.87 -0.17 0.00 0.00 175.17 173.88 3f7n n TRP 58 N -4.05 0.04 -2.09 -5.34 -0.00 -1.26 -3.61 117.44 101.13 3f7n n TRP 58 Ca 0.06 0.02 -0.41 0.00 -0.00 0.00 0.00 57.50 57.17 3f7n n TRP 58 Cb 0.56 -0.17 -0.03 0.00 -0.00 0.00 0.00 31.31 31.67 3f7n n TRP 58 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 177.69 176.05 3f7n s MET 59 N -1.47 3.03 -0.04 5.87 1.00 -1.26 -0.71 119.30 125.71 3f7n s MET 59 Ca -0.07 0.90 -0.14 0.00 0.00 0.00 0.00 55.69 56.39 3f7n s MET 59 Cb 0.01 -4.26 0.02 0.00 0.00 0.00 0.00 34.83 30.60 3f7n s MET 59 CO 0.10 -2.24 0.31 -1.64 0.00 0.00 0.00 175.02 171.55 3f7n s MET 60 N 6.22 0.61 0.92 2.03 -1.94 -1.26 -4.68 119.30 121.19 3f7n s MET 60 Ca 0.69 -0.07 -0.12 0.00 -1.71 0.00 0.00 55.69 54.48 3f7n s MET 60 Cb -0.16 0.27 0.14 0.00 2.01 0.00 0.00 34.83 37.09 3f7n s MET 60 CO 0.27 -0.15 1.12 -1.25 -0.01 0.00 0.00 175.02 174.99 3f7n s PRO 61 N -1.03 1.11 0.00 2.03 0.04 -1.26 -3.68 135.00 132.21 3f7n s PRO 61 Ca -0.11 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.33 3f7n s PRO 61 Cb -0.05 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.67 3f7n s PRO 61 CO 0.03 -2.24 0.00 0.09 0.04 0.00 0.00 177.00 174.92 3f7n n ASN 62 N -3.82 0.00 -3.65 6.66 3.02 -1.26 -4.39 115.26 111.82 3f7n n ASN 62 Ca 0.06 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.57 3f7n n ASN 62 Cb 0.58 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.69 3f7n n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 3f7n s MET 63 N 0.00 0.48 0.94 3.52 1.75 -1.26 -4.81 119.30 119.92 3f7n s MET 63 Ca 0.00 1.26 -0.12 0.00 -1.25 0.00 0.00 55.69 55.58 3f7n s MET 63 Cb 0.00 0.60 0.15 0.00 2.84 0.00 0.00 34.83 38.43 3f7n s MET 63 CO 0.00 -0.22 1.10 0.16 -0.65 0.00 0.00 175.02 175.42 3f7n s ASP 64 N 2.68 3.17 0.34 1.11 1.47 -1.24 -1.25 116.67 122.94 3f7n s ASP 64 Ca -0.05 1.19 0.13 0.00 1.18 0.00 0.00 52.55 55.01 3f7n s ASP 64 Cb -0.12 -1.84 0.59 0.00 -0.34 0.00 0.00 42.92 41.21 3f7n s ASP 64 CO -0.16 -2.79 1.73 1.23 0.68 0.00 0.00 175.17 175.85 3f7n h GLY 65 N -1.66 0.00 0.89 2.12 0.00 -0.98 -0.43 103.07 103.01 3f7n h GLY 65 Ca -0.52 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.76 3f7n h GLY 65 CO 0.58 0.00 0.01 -2.00 0.00 0.00 0.00 176.54 175.13 3f7n h LEU 66 N 0.00 0.52 -0.89 3.11 6.46 -1.82 -0.67 115.31 122.03 3f7n h LEU 66 Ca -0.00 -0.30 -0.04 0.00 -0.12 0.00 0.00 57.88 57.41 3f7n h LEU 66 Cb 0.87 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.63 3f7n h LEU 66 CO 0.06 0.70 0.30 -0.33 -0.62 0.00 0.00 178.44 178.55 3f7n h GLU 67 N 0.34 1.11 -0.10 1.25 4.39 -1.90 -0.72 114.58 118.95 3f7n h GLU 67 Ca 0.09 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 3f7n h GLU 67 Cb 0.42 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3f7n h GLU 67 CO 0.01 0.90 0.06 1.25 -1.16 0.00 0.00 179.01 180.07 3f7n h LEU 68 N 1.08 0.12 -0.26 1.33 5.85 -1.00 -0.73 115.31 121.70 3f7n h LEU 68 Ca 0.25 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.93 3f7n h LEU 68 Cb 0.20 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3f7n h LEU 68 CO -0.02 0.14 0.13 0.25 -0.34 0.00 0.00 178.44 178.60 3f7n h LEU 69 N 0.09 0.20 -0.84 2.25 5.85 -0.96 -1.75 115.31 120.14 3f7n h LEU 69 Ca 0.03 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3f7n h LEU 69 Cb 0.04 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 3f7n h LEU 69 CO -0.01 0.15 0.55 0.11 -0.34 0.00 0.00 178.44 178.91 3f7n h LYS 70 N 0.28 1.08 -0.23 1.25 1.57 -1.03 -0.68 116.57 118.81 3f7n h LYS 70 Ca 0.11 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3f7n h LYS 70 Cb 0.03 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 3f7n h LYS 70 CO -0.07 0.71 0.08 1.15 -0.57 0.00 0.00 179.45 180.75 3f7n h THR 71 N 1.11 1.18 -0.23 -0.16 2.02 -0.85 -1.91 112.91 114.06 3f7n h THR 71 Ca 0.32 -0.55 0.01 0.00 0.77 0.00 0.00 66.41 66.96 3f7n h THR 71 Cb -0.08 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 3f7n h THR 71 CO -0.09 0.18 0.13 0.40 0.37 0.00 0.00 175.52 176.51 3f7n h ILE 72 N 0.21 1.02 0.00 3.11 2.04 -1.17 -2.09 117.51 120.63 3f7n h ILE 72 Ca 0.08 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 3f7n h ILE 72 Cb 0.20 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3f7n h ILE 72 CO -0.00 0.05 -0.27 0.03 0.00 0.00 0.00 178.15 177.95 3f7n h ARG 73 N 0.27 0.00 0.00 2.37 2.47 -0.99 -2.82 114.38 115.68 3f7n h ARG 73 Ca 0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 3f7n h ARG 73 Cb -0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3f7n h ARG 73 CO -0.04 0.27 -0.52 0.00 0.56 0.00 0.00 179.97 180.24 3f7n h ALA 74 N 1.73 0.70 -2.29 0.04 0.00 -1.14 -3.42 119.26 114.88 3f7n h ALA 74 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 3f7n h ALA 74 Cb 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 3f7n h ALA 74 CO 0.04 0.00 0.42 0.34 0.00 0.00 0.00 179.25 180.04 3f7n s ASP 75 N -5.07 6.75 0.54 0.00 2.15 -0.80 -4.95 116.67 115.30 3f7n s ASP 75 Ca 0.05 0.89 0.25 0.00 0.43 0.00 0.00 52.55 54.17 3f7n s ASP 75 Cb 0.10 -2.42 1.43 0.00 -0.30 0.00 0.00 42.92 41.74 3f7n s ASP 75 CO 0.71 -0.53 2.03 1.23 -0.17 0.00 0.00 175.17 178.44 3f7n h GLY 76 N 9.25 0.00 2.00 2.66 0.00 -1.88 0.32 103.07 115.41 3f7n h GLY 76 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3f7n h GLY 76 CO 0.87 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.41 3f7n h ALA 77 N 1.75 1.00 0.00 3.60 0.00 -1.92 -3.38 119.26 120.31 3f7n h ALA 77 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3f7n h ALA 77 Cb 0.81 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 3f7n h ALA 77 CO -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 179.25 178.83 3f7n n MET 78 N -2.67 0.00 0.29 0.00 0.00 -0.62 -4.95 117.12 109.18 3f7n n MET 78 Ca 0.03 -0.85 0.15 0.00 0.00 0.00 0.00 57.70 57.03 3f7n n MET 78 Cb 0.39 -0.27 0.90 0.00 0.00 0.00 0.00 33.22 34.24 3f7n n MET 78 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 3f7n h SER 79 N 0.11 0.00 -0.44 3.17 4.64 -0.89 -1.28 113.55 118.85 3f7n h SER 79 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3f7n h SER 79 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 3f7n h SER 79 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3f7n n ALA 80 N -2.34 2.35 -1.65 5.18 0.00 -1.26 -4.47 120.51 118.31 3f7n n ALA 80 Ca -0.03 -1.08 -0.48 0.00 0.00 0.00 0.00 53.44 51.85 3f7n n ALA 80 Cb 0.08 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 18.76 3f7n n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3f7n n LEU 81 N 1.22 2.77 -4.74 0.00 7.94 -0.48 -4.89 117.00 118.82 3f7n n LEU 81 Ca 0.18 1.08 -0.42 0.00 -1.11 0.00 0.00 56.01 55.74 3f7n n LEU 81 Cb 0.54 -1.36 -0.02 0.00 0.53 0.00 0.00 43.42 43.10 3f7n n LEU 81 CO 0.13 -0.45 1.21 -2.84 -1.11 0.00 0.00 177.39 174.33 3f7n s PRO 82 N 1.10 4.19 -0.20 1.96 0.02 -1.26 -4.92 135.00 135.89 3f7n s PRO 82 Ca 0.82 2.45 -0.01 0.00 0.02 0.00 0.00 61.00 64.28 3f7n s PRO 82 Cb -0.75 -3.08 0.06 0.00 0.02 0.00 0.00 34.50 30.74 3f7n s PRO 82 CO 0.41 -0.57 -0.02 0.08 -0.33 0.00 0.00 177.00 176.58 3f7n s VAL 83 N 0.33 1.04 -0.27 3.83 1.01 -1.26 -0.64 120.40 124.44 3f7n s VAL 83 Ca 0.64 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.64 3f7n s VAL 83 Cb -0.45 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3f7n s VAL 83 CO 0.42 -0.10 0.38 -0.22 0.00 0.00 0.00 175.10 175.57 3f7n s LEU 84 N 1.63 4.06 0.05 3.92 2.96 0.49 -0.24 118.68 131.55 3f7n s LEU 84 Ca -0.03 0.27 -0.28 0.00 -0.22 0.00 0.00 54.13 53.87 3f7n s LEU 84 Cb -0.17 -2.44 -0.05 0.00 0.50 0.00 0.00 46.19 44.03 3f7n s LEU 84 CO -0.07 -0.20 0.90 -0.04 -1.32 0.00 0.00 176.35 175.62 3f7n s MET 85 N 2.09 4.59 -0.27 1.98 -1.94 -0.80 -0.91 119.30 124.04 3f7n s MET 85 Ca 0.15 1.31 -0.02 0.00 -1.71 0.00 0.00 55.69 55.42 3f7n s MET 85 Cb -0.16 -3.40 0.09 0.00 2.01 0.00 0.00 34.83 33.37 3f7n s MET 85 CO 0.10 0.15 0.09 0.08 -0.01 0.00 0.00 175.02 175.43 3f7n s VAL 86 N 0.31 0.59 -0.01 -6.03 1.01 0.30 -0.06 120.40 116.52 3f7n s VAL 86 Ca 0.46 -1.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 3f7n s VAL 86 Cb -0.22 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 34.83 3f7n s VAL 86 CO 0.27 -0.56 0.29 0.28 0.00 0.00 0.00 175.10 175.39 3f7n s THR 87 N 1.78 0.06 0.19 3.92 -1.32 -0.57 -3.66 115.64 116.04 3f7n s THR 87 Ca 0.07 -0.51 0.36 0.00 -1.21 0.00 0.00 61.69 60.39 3f7n s THR 87 Cb -0.17 -0.63 0.40 0.00 -1.51 0.00 0.00 72.50 70.59 3f7n s THR 87 CO -0.23 -0.28 2.05 0.00 -2.21 0.00 0.00 174.62 173.95 3f7n h ALA 88 N 3.84 1.00 -2.23 11.08 0.00 -1.86 0.18 119.26 131.27 3f7n h ALA 88 Ca -0.30 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.06 3f7n h ALA 88 Cb 1.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3f7n h ALA 88 CO 0.41 0.00 1.11 -0.51 0.00 0.00 0.00 179.25 180.25 3f7n s LEU 89 N -6.08 4.25 0.00 0.00 1.43 -1.26 -4.71 118.68 112.31 3f7n s LEU 89 Ca -0.00 2.16 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 3f7n s LEU 89 Cb 0.10 -3.53 -0.00 0.00 0.03 0.00 0.00 46.19 42.78 3f7n s LEU 89 CO 0.50 -1.00 0.22 0.00 0.23 0.00 0.00 176.35 176.31 3f7n n ALA 90 N 7.44 2.23 -1.76 4.21 0.00 -1.26 -4.85 120.51 126.52 3f7n n ALA 90 Ca 0.18 -0.22 -0.34 0.00 0.00 0.00 0.00 53.44 53.06 3f7n n ALA 90 Cb 0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.86 3f7n n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3f7n s LYS 91 N -0.61 3.47 0.33 0.00 1.02 -1.26 -4.89 119.74 117.80 3f7n s LYS 91 Ca 0.00 1.49 0.04 0.00 0.02 0.00 0.00 55.97 57.52 3f7n s LYS 91 Cb 0.00 -2.03 0.59 0.00 -0.52 0.00 0.00 37.83 35.87 3f7n s LYS 91 CO 0.01 -0.73 1.88 0.87 -0.92 0.00 0.00 175.35 176.46 3f7n h LYS 92 N 1.21 0.58 -0.06 1.68 1.79 -1.99 -1.33 116.57 118.45 3f7n h LYS 92 Ca -0.49 -0.11 -0.09 0.00 -2.18 0.00 0.00 60.65 57.77 3f7n h LYS 92 Cb 1.24 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.79 3f7n h LYS 92 CO 0.57 0.57 -0.37 0.93 -1.08 0.00 0.00 179.45 180.07 3f7n h GLU 93 N 0.56 0.13 -0.16 3.15 4.39 -1.99 0.13 114.58 120.78 3f7n h GLU 93 Ca 0.12 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 3f7n h GLU 93 Cb 0.29 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3f7n h GLU 93 CO 0.00 0.49 0.04 -0.91 -1.16 0.00 0.00 179.01 177.47 3f7n h ASN 94 N 0.11 0.25 -0.57 1.42 2.35 -1.64 -2.01 115.58 115.50 3f7n h ASN 94 Ca 0.01 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.51 3f7n h ASN 94 Cb 0.71 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.99 3f7n h ASN 94 CO 0.05 0.43 0.32 0.40 -1.65 0.00 0.00 177.43 176.98 3f7n h ILE 95 N 0.07 1.19 -0.06 2.81 2.04 -0.93 -1.89 117.51 120.73 3f7n h ILE 95 Ca 0.05 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.45 3f7n h ILE 95 Cb 0.28 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3f7n h ILE 95 CO 0.00 0.20 0.00 0.40 0.00 0.00 0.00 178.15 178.75 3f7n h ILE 96 N 0.77 0.96 -0.46 -0.67 2.04 -0.78 0.33 117.51 119.70 3f7n h ILE 96 Ca 0.20 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 66.11 3f7n h ILE 96 Cb 0.04 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 3f7n h ILE 96 CO -0.03 0.00 0.19 0.00 0.00 0.00 0.00 178.15 178.31 3f7n h ALA 97 N 1.05 0.56 -0.28 1.87 0.00 -1.13 0.13 119.26 121.48 3f7n h ALA 97 Ca 0.03 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3f7n h ALA 97 Cb 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3f7n h ALA 97 CO -0.05 -0.19 -0.18 0.00 0.00 0.00 0.00 179.25 178.83 3f7n h ALA 98 N 1.29 0.39 0.08 0.00 0.00 -1.24 -1.59 119.26 118.19 3f7n h ALA 98 Ca 0.21 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3f7n h ALA 98 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3f7n h ALA 98 CO -0.20 0.31 -0.04 0.00 0.00 0.00 0.00 179.25 179.33 3f7n h ALA 99 N 0.72 -0.11 -0.31 0.00 0.00 -0.66 -1.03 119.26 117.87 3f7n h ALA 99 Ca 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3f7n h ALA 99 Cb 0.71 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3f7n h ALA 99 CO 0.05 -0.56 0.17 1.96 0.00 0.00 0.00 179.25 180.87 3f7n h GLN 100 N -0.12 0.42 0.00 0.00 1.08 -0.76 -1.40 115.11 114.34 3f7n h GLN 100 Ca -0.01 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3f7n h GLN 100 Cb 0.09 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3f7n h GLN 100 CO 0.02 0.32 0.00 0.00 -0.95 0.00 0.00 178.83 178.21 3f7n n ALA 101 N -2.49 2.13 0.00 3.87 0.00 -0.60 -4.87 120.51 118.56 3f7n n ALA 101 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3f7n n ALA 101 Cb 0.10 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3f7n n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f7n n GLY 102 N 0.77 1.42 3.63 0.00 0.00 -0.53 -4.60 105.19 105.88 3f7n n GLY 102 Ca 0.09 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.65 3f7n n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f7n n ALA 103 N -0.85 0.34 0.12 4.61 0.00 -0.44 -4.85 120.51 119.43 3f7n n ALA 103 Ca 0.00 0.42 -0.00 0.00 0.00 0.00 0.00 53.44 53.86 3f7n n ALA 103 Cb 0.00 -2.16 0.04 0.00 0.00 0.00 0.00 19.45 17.34 3f7n n ALA 103 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3f7n h SER 104 N 3.52 0.00 -5.46 0.00 0.02 -0.96 -3.45 113.55 107.22 3f7n h SER 104 Ca -0.44 0.00 0.19 0.00 -0.84 0.00 0.00 61.79 60.70 3f7n h SER 104 Cb 1.31 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.79 3f7n h SER 104 CO 0.71 0.66 0.61 -0.83 -1.14 0.00 0.00 176.83 176.83 3f7n s GLY 105 N -4.53 -0.02 -0.24 -3.77 0.00 -1.22 -4.84 107.32 92.71 3f7n s GLY 105 Ca 0.02 -0.13 -0.08 0.00 0.00 0.00 0.00 44.72 44.53 3f7n s GLY 105 CO 0.76 1.95 0.50 -0.47 0.00 0.00 0.00 173.10 175.84 3f7n s TYR 106 N -2.42 -1.00 -0.10 1.90 5.04 -1.26 -1.91 117.35 117.60 3f7n s TYR 106 Ca 0.20 1.79 0.03 0.00 -2.44 0.00 0.00 57.07 56.64 3f7n s TYR 106 Cb -0.02 0.48 -0.01 0.00 0.35 0.00 0.00 41.96 42.76 3f7n s TYR 106 CO 0.03 -0.56 -0.19 0.08 -1.34 0.00 0.00 175.55 173.58 3f7n s VAL 107 N 2.72 2.56 -0.13 3.14 1.01 0.92 -4.99 120.40 125.63 3f7n s VAL 107 Ca -0.02 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 60.92 3f7n s VAL 107 Cb -0.12 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 3f7n s VAL 107 CO -0.15 0.55 0.45 -0.69 0.00 0.00 0.00 175.10 175.27 3f7n s VAL 108 N 0.13 5.20 0.28 2.92 1.01 -1.26 -1.51 120.40 127.17 3f7n s VAL 108 Ca -0.09 0.90 -0.29 0.00 0.00 0.00 0.00 61.98 62.50 3f7n s VAL 108 Cb -0.16 -3.79 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 3f7n s VAL 108 CO 0.06 0.33 1.03 -0.54 0.00 0.00 0.00 175.10 175.97 3f7n s LYS 109 N 0.65 4.66 0.43 2.72 1.02 0.63 -3.64 119.74 126.22 3f7n s LYS 109 Ca 0.25 1.62 -0.23 0.00 0.02 0.00 0.00 55.97 57.64 3f7n s LYS 109 Cb -0.15 -3.12 -0.09 0.00 -0.52 0.00 0.00 37.83 33.95 3f7n s LYS 109 CO 0.09 0.29 1.04 -1.25 -0.92 0.00 0.00 175.35 174.60 3f7n s PRO 110 N -1.52 4.04 0.12 -1.68 0.04 -1.26 -4.56 135.00 130.18 3f7n s PRO 110 Ca 0.45 1.44 0.06 0.00 0.04 0.00 0.00 61.00 63.00 3f7n s PRO 110 Cb -0.28 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 3f7n s PRO 110 CO 0.35 -0.24 -0.15 -0.59 0.04 0.00 0.00 177.00 176.41 3f7n s PHE 111 N -1.79 1.48 0.50 0.56 -0.12 -1.24 -5.15 117.98 112.21 3f7n s PHE 111 Ca 0.61 -0.52 -0.04 0.00 -0.05 0.00 0.00 56.93 56.93 3f7n s PHE 111 Cb -0.19 -0.77 -0.01 0.00 -0.63 0.00 0.00 43.02 41.41 3f7n s PHE 111 CO 0.24 0.17 0.79 0.95 -0.05 0.00 0.00 175.22 177.32 3f7n s THR 112 N -1.98 4.33 0.26 -4.49 -4.23 -1.26 -4.99 115.64 103.28 3f7n s THR 112 Ca 0.09 -0.04 -0.03 0.00 -1.18 0.00 0.00 61.69 60.53 3f7n s THR 112 Cb -0.06 -3.66 0.26 0.00 1.34 0.00 0.00 72.50 70.38 3f7n s THR 112 CO 0.04 -0.61 1.87 0.00 -0.54 0.00 0.00 174.62 175.38 3f7n h ALA 113 N 0.16 1.34 -0.55 3.99 0.00 -2.01 -2.60 119.26 119.58 3f7n h ALA 113 Ca -0.46 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3f7n h ALA 113 Cb 1.23 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3f7n h ALA 113 CO 0.60 0.40 0.24 0.00 0.00 0.00 0.00 179.25 180.49 3f7n h ALA 114 N 1.44 0.72 -0.25 0.00 0.00 -1.99 -2.25 119.26 116.93 3f7n h ALA 114 Ca 0.42 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.20 3f7n h ALA 114 Cb 0.18 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3f7n h ALA 114 CO -0.18 0.31 0.11 1.15 0.00 0.00 0.00 179.25 180.65 3f7n h THR 115 N 0.75 0.98 -0.31 0.00 2.02 -1.89 0.46 112.91 114.91 3f7n h THR 115 Ca 0.19 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 3f7n h THR 115 Cb 0.17 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3f7n h THR 115 CO -0.02 0.04 0.17 0.25 0.37 0.00 0.00 175.52 176.33 3f7n h LEU 116 N 0.24 0.40 -0.74 2.58 5.85 -1.33 0.19 115.31 122.50 3f7n h LEU 116 Ca 0.10 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3f7n h LEU 116 Cb 0.04 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 3f7n h LEU 116 CO -0.08 0.38 0.49 -0.08 -0.34 0.00 0.00 178.44 178.81 3f7n h GLU 117 N 0.38 0.96 -0.39 1.25 4.81 -1.21 0.46 114.58 120.85 3f7n h GLU 117 Ca 0.11 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3f7n h GLU 117 Cb 0.07 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3f7n h GLU 117 CO -0.02 0.64 0.21 0.93 -0.73 0.00 0.00 179.01 180.04 3f7n h GLU 118 N 0.99 0.55 -0.02 1.92 5.08 -0.21 -1.56 114.58 121.33 3f7n h GLU 118 Ca 0.28 -0.07 -0.21 0.00 -1.00 0.00 0.00 59.36 58.36 3f7n h GLU 118 Cb -0.09 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 3f7n h GLU 118 CO -0.07 0.45 -0.87 0.87 -1.00 0.00 0.00 179.01 178.39 3f7n h LYS 119 N 0.50 0.36 -0.19 2.33 1.79 -0.65 -1.12 116.57 119.60 3f7n h LYS 119 Ca 0.14 -0.36 0.02 0.00 -2.18 0.00 0.00 60.65 58.26 3f7n h LYS 119 Cb 0.06 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 3f7n h LYS 119 CO -0.02 1.04 0.07 -0.07 -1.08 0.00 0.00 179.45 179.38 3f7n h LEU 120 N 0.22 0.08 -1.30 2.94 3.38 -0.90 -2.67 115.31 117.06 3f7n h LEU 120 Ca -0.06 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3f7n h LEU 120 Cb 1.49 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 3f7n h LEU 120 CO 0.15 0.07 0.09 0.78 0.09 0.00 0.00 178.44 179.62 3f7n h ASN 121 N 0.16 0.52 -0.84 -0.43 2.35 -1.08 -1.59 115.58 114.67 3f7n h ASN 121 Ca 0.08 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 3f7n h ASN 121 Cb 0.05 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 3f7n h ASN 121 CO -0.08 0.53 0.43 0.50 -1.65 0.00 0.00 177.43 177.15 3f7n h LYS 122 N 0.56 1.20 -0.11 0.81 3.64 -1.04 -1.06 116.57 120.57 3f7n h LYS 122 Ca 0.13 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3f7n h LYS 122 Cb 0.22 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3f7n h LYS 122 CO -0.00 0.91 -0.05 0.82 -2.27 0.00 0.00 179.45 178.86 3f7n h ILE 123 N 1.20 1.31 -0.36 2.00 2.04 -1.09 -1.59 117.51 121.02 3f7n h ILE 123 Ca 0.29 -1.04 0.07 0.00 1.00 0.00 0.00 64.86 65.18 3f7n h ILE 123 Cb 0.09 1.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.87 3f7n h ILE 123 CO -0.04 0.30 -0.05 -0.26 0.00 0.00 0.00 178.15 178.10 3f7n h PHE 124 N -0.11 -0.12 -0.06 1.37 0.04 -1.05 -0.27 116.94 116.74 3f7n h PHE 124 Ca 0.03 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.83 3f7n h PHE 124 Cb 0.49 0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 3f7n h PHE 124 CO 0.06 -0.12 0.02 1.49 -0.60 0.00 0.00 178.31 179.16 3f7n h GLU 125 N 0.04 0.05 -0.92 1.51 4.57 -1.21 0.30 114.58 118.92 3f7n h GLU 125 Ca 0.18 -0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.45 3f7n h GLU 125 Cb 0.26 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.77 3f7n h GLU 125 CO -0.34 0.03 0.59 -0.22 -1.18 0.00 0.00 179.01 177.89 3f7n h LYS 126 N 0.05 0.89 -0.13 1.92 1.63 -0.81 -1.74 116.57 118.38 3f7n h LYS 126 Ca 0.02 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3f7n h LYS 126 Cb 0.01 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.44 3f7n h LYS 126 CO -0.03 0.59 0.00 1.28 -3.45 0.00 0.00 179.45 177.84 3f7n n LEU 127 N -4.54 2.63 -1.58 5.20 4.77 -0.15 -4.95 117.00 118.38 3f7n n LEU 127 Ca 0.16 -0.97 -0.14 0.00 -0.03 0.00 0.00 56.01 55.02 3f7n n LEU 127 Cb 0.31 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3f7n n LEU 127 CO 0.31 0.49 -0.18 0.61 -1.33 0.00 0.00 177.39 177.28 3f7n n GLY 128 N 1.32 -0.08 0.38 -0.72 0.00 0.20 -5.05 105.19 101.24 3f7n n GLY 128 Ca 0.17 -0.29 0.14 0.00 0.00 0.00 0.00 46.02 46.04 3f7n n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35